SCHEMBL8048704

SCHEMBL8048704

O=C(O)Cc1nnc(Sc2ncc(NC(=O)c3ccccc3)s2)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.45
NPC1 O15118 6/20 0.43
RAB9A P51151 5/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
TP53 P04637 4/20 0.43
GLS O94925 3/20 0.43
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
SRC P12931 1/20 0.41
CASP3 P42574 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
LMNA P02545 1/20 0.39
KDR P35968 1/20 0.39
MAPT P10636 2/20 0.39
NFKB1 P19838 2/20 0.39
NFKB2 Q00653 2/20 0.39
RELA Q04206 2/20 0.39
POLB P06746 2/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8044767 0.91 NPSR1 (0.43) NPSR1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL8033853 0.90 NPC1 (0.44) NPSR1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL8051385 0.89 GLS (0.46) NPSR1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL8052179 0.89 RAB9A (0.48) NPSR1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL8051149 0.88 GLS (0.47) NPSR1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL8050097 0.88 NPC1 (0.58) NPSR1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL8045973 0.87 RAB9A (0.59) NPC1RAB9ASMN1; SMN2GLSKMT2A
SCHEMBL8044422 0.87 RAB9A (0.46) NPSR1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL8044538 0.87 ALDH1A1 (0.53) NPSR1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL8049839 0.86 KMT2A (0.52) NPSR1NPC1RAB9ASMN1; SMN2TP53

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6080772-A 2-AMINOTHIAZOLE TRIAZOLE OR TETRAZOLE COMPOUND FOR REGULATING PROTEIN TYROSINE PHOSPHATASE ACTIVITY SUGEN, INC. (US) 2000-06-27 US disclosed